SCHEMBL30002673

SCHEMBL30002673

Cc1cc2c(cc1C)C(=O)C(O)=CC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
NQO1 P15559 2/20 0.37
POR P16435 2/20 0.37
RECQL P46063 3/20 0.35
PIM1 P11309 1/20 0.34
PABPC1 P11940 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX5 P09917 3/20 0.33
POLB P06746 2/20 0.33
MPEG1 Q2M385 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8993580 1.00 XIAP (0.39) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL9560142 0.87 KDM4E (0.36) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL9178309 0.82 BCL2 (0.48) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL18992102 0.78 KDM4E (0.38) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL30003252 0.78 KDM4E (0.38) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL29404998 0.78 MAOA (0.53) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL30003106 0.78 MAOA (0.53) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL973797 0.78 CA1 (0.46) XIAPCYP3A4
SCHEMBL973005 0.78 MAOA (0.53) XIAPKDM4EMAPTKMT2AMEN1
SCHEMBL28591550 0.78 MAOA (0.53) XIAPKDM4EMAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed